A CASE STUDY DEMONSTRATING VIRTUAL SCREENING and ALLOSTERY IN ACTION!
An allosteric modulator (AM) bound to the convex face of WW1 domain of YAP2 transcriptional regulator with attomolar
Note that the PPXY-based cognate ligands would exclusively dock onto the exact opposite concave face of the WW1 domain in a non-competitive
manner. The allosteric modulator was identified through virtual screening of a natural-product-based library comprised of close to one million
small molecules with an average molar mass of 500D.